Toluene → 2-(5-(3-Chloro-2-fluorobenzyl)-2-fluoro-4-methoxybenzoyl)-3-dimethylaminoacrylic acid ethyl ester
반응식
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][C:6](=[O:7])[c:8]1[c:9]([F:25])[cH:10][c:11]([O:23][CH3:24])[c:12]([CH2:14][c:15]2[c:16]([F:22])[c:17]([Cl:21])[cH:18][cH:19][cH:20]2)[cH:13]1)=[O:26].[CH3:27][O:28][CH:29]([N:30]([CH3:31])[CH3:32])[O:33][CH3:34].[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[CH2:1]([CH3:2])[O:3][C:4]([C:5]([C:6](=[O:7])[c:8]1[c:9]([F:25])[cH:10][c:11]([O:23][CH3:24])[c:12]([CH2:14][c:15]2[c:16]([F:22])[c:17]([Cl:21])[cH:18][cH:19][cH:20]2)[cH:13]1)=[CH:29][N:30]([CH3:31])[CH3:32])=[O:26]참가 물질
4
출처 및 근거
- ORD 기록
- ord-7b59c1604115439b9ce1f6c59392609d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)